(E,2S)-2-aminooct-3-enoic acid

C8H15NO2 — CID 134212552

IUPAC(E,2S)-2-aminooct-3-enoic acid
SMILESCCCC/C=C/[C@H](N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/b6-5+/t7-/m0/s1
InChIKeyRPTIELNJRFMDRV-XPPMVYLVSA-N
MW157.21 g/mol
LogP1.14
Rot. Bonds5

About (E,2S)-2-aminooct-3-enoic acid

(E,2S)-2-aminooct-3-enoic acid (PubChem CID 134212552) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E,2S)-2-aminooct-3-enoic acid.

Molecular Properties

Compound Name(E,2S)-2-aminooct-3-enoic acid
PubChem CID134212552
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E,2S)-2-aminooct-3-enoic acid
SMILESCCCC/C=C/[C@H](N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/b6-5+/t7-/m0/s1
InChIKeyRPTIELNJRFMDRV-XPPMVYLVSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-oxoundec-6-enoic acid
CID 173122759
(Z)-2,3-dimethylnon-4-enoic acid
CID 87090108
(Z,2S)-2-amino-7-(1-aminoethylideneamino)hept-3-enoic acid;dihydrochloride
CID 172867749
2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
diethyl 2-[(E)-oct-3-en-2-yl]propanedioate
CID 11369249
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
(E)-2-ethylnon-3-enoic acid
CID 166071468
(E)-3-hydroxynon-4-enoic acid
CID 55277354
(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
CID 19764885

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-aminooct-3-enoic acid?
The IUPAC name of (E,2S)-2-aminooct-3-enoic acid (CID 134212552) is (E,2S)-2-aminooct-3-enoic acid.
What is the SMILES notation for (E,2S)-2-aminooct-3-enoic acid?
The canonical SMILES for (E,2S)-2-aminooct-3-enoic acid is CCCC/C=C/[C@H](N)C(=O)O.
What is the InChIKey of (E,2S)-2-aminooct-3-enoic acid?
The InChIKey is RPTIELNJRFMDRV-XPPMVYLVSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/b6-5+/t7-/m0/s1.
What are the key properties of (E,2S)-2-aminooct-3-enoic acid?
(E,2S)-2-aminooct-3-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-aminooct-3-enoic acid is sourced from PubChem (CID 134212552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).